[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C20H21BrN2O6/c1-27-15-10-13(11-16(28-2)19(15)21)20(26)29-12-18(25)23(9-8-17(22)24)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H2,22,24)